(2R)-4-azanyl-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-azanyl-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-amino-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[(2,6-dimethyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[(2,6-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-4-oxobutanoate Traditional Name: (2R)-4-amino-2-[(2,6-dimethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-keto-butyrate Formula: C18H17N4O3S- MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=C(N=C2S1)C)NC(CC(=O)N)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N=C(N=C2S1)C)N[C@H](CC(=O)N)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-9-14(11-6-4-3-5-7-11)15-16(20-10(2)21-17(15)26-9)22-12(18(24)25)8-13(19)23/h3-7,12H,8H2,1-2H3,(H2,19,23)(H,24,25)(H,20,21,22)/p-1/t12-/m1/s1